Basic information
- CAS
64516-34-3- Standard SMILES
CCN(CC)CCSCCC1(C)Oc2ccccc2O1- InChIKey
UGTRYWJCAFVSQU-UHFFFAOYSA-N- Molecular formula
- C16H25NO2S
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.16060021
Names & identifiers
- Preferred name
- Ethanamine, N,N-diethyl-2-((2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)thio)-
- IUPAC
- N,N-diethyl-2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethylsulfanyl]ethanamine
Names & synonyms
LR 64364516-34-3Ethanamine, N,N-diethyl-2-((2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)thio)-DTXSID00214786N,N-Diethyl-2-((2-(2-methyl-1,3-benzodioxol-2-yl)ethyl)thio)ethanamineRefChem:339853DTXCID30137277SCHEMBL11629300N,N-Diethyl-2-{[2-(2-methyl-2H-1,3-benzodioxol-2-yl)ethyl]sulfanyl}ethan-1-amine
Database identifiers
- CAS
64516-34-3- PubChem CID
- 57720
- DTXSID
DTXSID00214786
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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